CID 3023877
94159-92-9
Structural Information
- Molecular Formula
- C18H11F19O2
- SMILES
- C1=CC=C(C=C1)OCC(CC(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
- InChI
- InChI=1S/C18H11F19O2/c19-10(20,6-8(38)7-39-9-4-2-1-3-5-9)12(22,23)14(26,27)16(30,31)15(28,29)13(24,25)11(21,17(32,33)34)18(35,36)37/h1-5,8,38H,6-7H2
- InChIKey
- BVQDBQFRYDVCDL-UHFFFAOYSA-N
- Compound name
- 4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-1-phenoxy-10-(trifluoromethyl)undecan-2-ol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 621.05288 | 179.1 |
[M+Na]+ | 643.03482 | 184.8 |
[M-H]- | 619.03832 | 186.5 |
[M+NH4]+ | 638.07942 | 188.9 |
[M+K]+ | 659.00876 | 193.5 |
[M+H-H2O]+ | 603.04286 | 168.4 |
[M+HCOO]- | 665.04380 | 198.8 |
[M+CH3COO]- | 679.05945 | 252.8 |
[M+Na-2H]- | 641.02027 | 177.9 |
[M]+ | 620.04505 | 177.2 |
[M]- | 620.04615 | 177.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.